5K2X

Crystal structure of M. tuberculosis UspC (tetragonal crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-01-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9173
Spacegroup name	P 41
Unit cell lengths	87.850, 87.850, 52.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.310 - 1.500
R-factor	0.1636
Rwork	0.162
R-free	0.18910
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.593
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.310	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.106	0.808
Number of reflections	64354
<I/σ(I)>	13.8	3.2
Completeness [%]	99.4	99
Redundancy	6.8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.12 M of 1,6-Hexanediol; 1-Butanol; 1,2-Propanediol; 2-Propanol; 1,4-Butanediol; 1,3-Propanediol; 1 M of imidazole, MES; 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350